1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine
PubChem CID: 6441487
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| Compound Synonyms | 27098-24-4, 1-Stearoyl-2-linoleoylphosphatidylcholine, 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine, 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine, PC(18:0/18:2(9Z,12Z)), Phosphatidylcholine(18:0/18:2w6), Phosphatidylcholine(36:2), GPCho(36:2), [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, Phosphatidylcholine(18:0/18:2), GPCho(18:0/18:2), GPCho(18:0/18:2n6), GPCho(18:0/18:2w6), Phosphatidylcholine(18:0/18:2n6), 1-18:0-2-18:2-phosphatidylcholine, PC(18:0/18:2n6), PC(18:0/18:2w6), phosphatidylcholine (1-18:0-2-18:2), 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine, 18:0-18:2-PC, SLPC, 1-octadecanoyl-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphocholine, SLPTC, PC (liver, bovine ), 1-stearoyl-2-linoleoyl-GPC, SCHEMBL233018, 1-Stearoyl-(2-linoleoyl)-sn-glycero-3-phosphocholine, CHEBI:84822, DTXSID001230503, LMGP01010768, MSK001063, AKOS040732231, PD166325, 1ST001063, GPC(18:0/18:2), HY-126359, CS-0102946, NS00073994, 1-stearoyl-2-linoleoyl-GPC (18:0/18:2), Q27105102, 1-STERAOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHORYLCHOLINE, Liver PC, L-alpha-phosphatidylcholine (Liver, Bovine), powder, 1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phosphocholine, 18:0-18:2 PC, 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine, powder, 18:0-18:2 PC, 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine, chloroform, (2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate, (2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate, (R)-2-((Octadeca-9,12-dienoyl)oxy)-3-(stearoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate, 18468-68-3, 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxo-9,12-octadecadienyl)oxy)-, inner salt, 4-oxide, (R-(Z,Z))-, 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-, inner salt, 4-oxide, (7R)-, 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-,innersalt,4-oxide,(7R)-, 475662-36-3, trimethyl(2-{[2-[octadeca-9.12-dienoyloxy]-3-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)azanium |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 111.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Glycerophosphocholines |
| Deep Smiles | CCCCCCCCCCCCCCCCCC=O)OC[C@@H]OC=O)CCCCCCC/C=CC/C=CCCCCC)))))))))))))))))))COP=O)OCC[N+]C)C)C)))))[O-] |
| Heavy Atom Count | 54.0 |
| Classyfire Class | Glycerophospholipids |
| Classyfire Subclass | Glycerophosphocholines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 972.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C44H84NO8P |
| Inchi Key | FORFDCPQKJHEBF-VPUSDGANSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 42.0 |
| Synonyms | phosphatidyl choline |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=CC, CC(=O)OC, COC(C)=O, COP(=O)([O-])OC, C[N+](C)(C)C |
| Compound Name | 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine |
| Exact Mass | 785.593 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 785.593 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 786.1 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,42H,6-14,16,18-20,22,24-41H2,1-5H3/b17-15-,23-21-/t42-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | False |
| Np Classifier Superclass | Glycerophospholipids |
- 1. Outgoing r'ship
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